Geometry & MOs

Info

ID:	256217
PubChem CID:	103137820
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	49.07
Dipole, Da:	3.61
IP(EA), eV:	-8.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-methoxyethyl)-8-N-pentan-3-ylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations